N-(1-cyanocyclopropyl)-4,4-dimethyl-2-[[1-[(1-methylpiperidin-4-yl)methyl]-2-oxidanylidene-quinazolin-4-yl]amino]pentanamide

Systemtic Name: N-(1-cyanocyclopropyl)-4,4-dimethyl-2-[[1-[(1-methylpiperidin-4-yl)methyl]-2-oxidanylidene-quinazolin-4-yl]amino]pentanamide Openeye Name: N-(1-cyanocyclopropyl)-4,4-dimethyl-2-[[1-[(1-methyl-4-piperidyl)methyl]-2-oxo-quinazolin-4-yl]amino]pentanamide CAS Name: N-(1-cyanocyclopropyl)-4,4-dimethyl-2-[[1-[(1-methyl-4-piperidinyl)methyl]-2-oxo-4-quinazolinyl]amino]pentanamide IUPAC Name: N-(1-cyanocyclopropyl)-4,4-dimethyl-2-[[1-[(1-methylpiperidin-4-yl)methyl]-2-oxoquinazolin-4-yl]amino]pentanamide Traditional Name: N-(1-cyanocyclopropyl)-2-[[2-keto-1-[(1-methyl-4-piperidyl)methyl]quinazolin-4-yl]amino]-4,4-dimethyl-valeramide Formula: C26H36N6O2 MolecularWeight: 464.60304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NC1(CC1)C#N)NC2=NC(=O)N(C3=CC=CC=C32)CC4CCN(CC4)C

Isomeric SMILES

CC(C)(C)CC(C(=O)NC1(CC1)C#N)NC2=NC(=O)N(C3=CC=CC=C32)CC4CCN(CC4)C

InChI

InChI=1S/C26H36N6O2/c1-25(2,3)15-20(23(33)30-26(17-27)11-12-26)28-22-19-7-5-6-8-21(19)32(24(34)29-22)16-18-9-13-31(4)14-10-18/h5-8,18,20H,9-16H2,1-4H3,(H,30,33)(H,28,29,34)